SCHEMBL4848545

SCHEMBL4848545

O=C(c1ccc(F)cc1)c1cc2cnc(Nc3c(F)cccc3F)nc2n1-c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.38
CDK4 P11802 4/20 0.37
CCND1 P24385 3/20 0.37
ABL1 P00519 1/20 0.37
EGFR P00533 1/20 0.37
PDGFRB P09619 1/20 0.37
KIT P10721 1/20 0.37
FGFR1 P11362 1/20 0.37
SRC P12931 1/20 0.37
PDGFRA P16234 1/20 0.37
MAPK14 Q16539 1/20 0.37
AURKA O14965 2/20 0.36
SCN9A Q15858 1/20 0.36
CDK9 P50750 2/20 0.36
CCNT1 O60563 1/20 0.36
CCND3 P30281 1/20 0.36
VNN1 O95497 3/20 0.35
GSK3B P49841 3/20 0.35
GSK3A P49840 2/20 0.35
CDK6 Q00534 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4854308 0.91 MAPK14 (0.37) WEE1CDK4CCND1ABL1EGFR
SCHEMBL4854295 0.85 MAPK14 (0.44) CDK4CCND1MAPK14GSK3BGSK3A
SCHEMBL4853763 0.81 MAPK14 (0.41) MAPK14VNN1
SCHEMBL4853753 0.81 MAPK14 (0.41) MAPK14VNN1
SCHEMBL4855886 0.80 WEE1 (0.40) WEE1CDK4CCND1ABL1EGFR
SCHEMBL14158808 0.77 CDK4 (0.37) WEE1CDK4CCND1ABL1EGFR
SCHEMBL4848607 0.73 MAPK14 (0.39) MAPK14
SCHEMBL4854065 0.73 CCNT1 (0.40) WEE1CDK4CCND1ABL1EGFR
SCHEMBL4848602 0.73 MAPK14 (0.39) MAPK14
SCHEMBL4848869 0.72 MAPK14 (0.51) MAPK14MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US claimed
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY 2008-06-12 US disclosed
US-7319102-B1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors THE PROCTER & GAMBLE COMPANY (US) 2008-01-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080139588-A1 Pyrrolo[2,3-d]pyrimidine cytokine inhibitors DPYD, IL1B, IL6 WEE1 2835/4885CDK4 665/4885CCND1 2210/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.